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	hartrees
Energy at 0K	-147.384038
Energy at 298.15K	-147.383883
HF Energy	-147.384038
Nuclear repulsion energy	52.178540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1638	1581	13.16
2	A₁	1165	1124	19.23
3	B₂	1038	1002	0.32

Atom	y (Å)	z (Å)
C1	0.000	0.865
N2	0.640	-0.371
N3	-0.640	-0.371

	C1	N2	N3
C1		1.3921	1.3921
N2	1.3921		1.2806
N3	1.3921	1.2806

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	62.617		C1	N3	N2	62.617
N2	C1	N3	54.765

All results from a given calculation for CN₂ (3H-Diazirin-3-ylidene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.039
2	N	0.019
3	N	0.019

	x	y	z	Total
	0.000	0.000	-0.625	0.625
CHELPG
AIM
ESP

<r²>	22.771
(<r²>)^1/2	4.772

All results from a given calculation for CN2 (3H-Diazirin-3-ylidene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CN₂ (3H-Diazirin-3-ylidene)